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CHEBI:180187 - 9E,12Z,15E-octadecatrienoic acid

ChEBI IDCHEBI:180187
ChEBI Name9E,12Z,15E-octadecatrienoic acid
Stars
Last Modified23 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O2
Net Charge0
Average Mass278.436
Monoisotopic Mass278.22458
SMILESCC/C=C/C/C=C\C/C=C/CCCCCCCC(=O)O
InChIInChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6-,10-9+
InChIKeyDTOSIQBPPRVQHS-BXPSWRNBSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
9E,12Z,15E-octadecatrienoic acid (CHEBI:180187) is a octadecatrienoic acid (CHEBI:25633)
IUPAC Name 
(9E,12Z,15E)-octadeca-9,12,15-trienoic acid
Manual XrefsDatabases
4471925ChemSpider
LMFA01030349LIPID MAPS
Registry NumbersSources
CAS:21661-12-1ChemIDplus